High temperature behavior of water inside flat graphite nanochannels
By means of molecular dynamics calculations performed at high temperatures, we were able to calculate the phase diagram of liquid water confined inside narrow graphite channels. We found stable liquid phases all the way to 398K, failing to reach the critical temperature for all of the systems under...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2007 |
| País: | España |
| Institución: | Universidad Pablo de Olavide (UPO) |
| Repositorio: | RIO. Repositorio Institucional Olavide |
| Idioma: | inglés |
| OAI Identifier: | oai:rio.upo.es:10433/920 |
| Acceso en línea: | http://hdl.handle.net/10433/920 |
| Access Level: | acceso abierto |
| Palabra clave: | High temperatures Water Graphite |
| Sumario: | By means of molecular dynamics calculations performed at high temperatures, we were able to calculate the phase diagram of liquid water confined inside narrow graphite channels. We found stable liquid phases all the way to 398K, failing to reach the critical temperature for all of the systems under consideration. We also analyzed how the temperature variations in the range of 298 to 398K affected the hydrogen bond network and found that the main variation in the infrared spectra of confined water at high temperatures was the forward shifting of the bending peak. |
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